2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol

C14H19NO — CID 99632914

IUPAC2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
SMILESCC[C@H](NC1CC=CC1)c1ccccc1O
InChIInChI=1S/C14H19NO/c1-2-13(15-11-7-3-4-8-11)12-9-5-6-10-14(12)16/h3-6,9-11,13,15-16H,2,7-8H2,1H3/t13-/m0/s1
InChIKeyBQVGBHCTXKFYNL-ZDUSSCGKSA-N
MW217.31 g/mol
LogP3.15
Rot. Bonds4

About 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol

2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol (PubChem CID 99632914) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
PubChem CID99632914
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
SMILESCC[C@H](NC1CC=CC1)c1ccccc1O
InChIInChI=1S/C14H19NO/c1-2-13(15-11-7-3-4-8-11)12-9-5-6-10-14(12)16/h3-6,9-11,13,15-16H,2,7-8H2,1H3/t13-/m0/s1
InChIKeyBQVGBHCTXKFYNL-ZDUSSCGKSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-[(3-methylsulfanylcyclohexyl)amino]propyl]phenol
CID 104924871
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
CID 99702928
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645
2-[1-(methoxyamino)propyl]phenol
CID 82706320
2-[1-(cyclopentyloxyamino)propyl]phenol
CID 83229678
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol?
The IUPAC name of 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol (CID 99632914) is 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol.
What is the SMILES notation for 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol?
The canonical SMILES for 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol is CC[C@H](NC1CC=CC1)c1ccccc1O.
What is the InChIKey of 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol?
The InChIKey is BQVGBHCTXKFYNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13(15-11-7-3-4-8-11)12-9-5-6-10-14(12)16/h3-6,9-11,13,15-16H,2,7-8H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol?
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol has a molecular weight of 217.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol is sourced from PubChem (CID 99632914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).